5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride

C7H3ClF3NO2 — CID 130079742

IUPAC5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cc(C(F)F)c(F)[nH]c1=O
InChIInChI=1S/C7H3ClF3NO2/c8-4(13)2-1-3(5(9)10)6(11)12-7(2)14/h1,5H,(H,12,14)
InChIKeyGBRWLUGZSMGSBJ-UHFFFAOYSA-N
MW225.55 g/mol
LogP1.83
Rot. Bonds2

About 5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride

5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride (PubChem CID 130079742) has the molecular formula C7H3ClF3NO2 and a molecular weight of 225.55 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride
PubChem CID130079742
Molecular FormulaC7H3ClF3NO2
Molecular Weight225.55 g/mol
Exact Mass224.98
IUPAC Name5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cc(C(F)F)c(F)[nH]c1=O
InChIInChI=1S/C7H3ClF3NO2/c8-4(13)2-1-3(5(9)10)6(11)12-7(2)14/h1,5H,(H,12,14)
InChIKeyGBRWLUGZSMGSBJ-UHFFFAOYSA-N
XLogP1.83
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.55
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

5-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridine-3-carboxylic acid
CID 130079672
3-bromo-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one
CID 130109294
6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl chloride
CID 118814881
5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carbonyl chloride
CID 130084060
6-amino-5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride
CID 130104341
6-amino-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonyl chloride
CID 130105004
2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride
CID 118837824
3-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one
CID 130079332
3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride
CID 130072823
2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride
CID 130104992
3-(difluoromethyl)-2-fluorobenzoyl chloride
CID 151173886
methyl 6-bromo-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate
CID 130110453

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride?
The IUPAC name of 5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride (CID 130079742) is 5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride.
What is the SMILES notation for 5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride?
The canonical SMILES for 5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride is O=C(Cl)c1cc(C(F)F)c(F)[nH]c1=O.
What is the InChIKey of 5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride?
The InChIKey is GBRWLUGZSMGSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3NO2/c8-4(13)2-1-3(5(9)10)6(11)12-7(2)14/h1,5H,(H,12,14).
What are the key properties of 5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride?
5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride has a molecular weight of 225.55 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride is sourced from PubChem (CID 130079742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).